REMARK  Name = BDB006964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.626   1.313   0.641  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.081   0.123   0.730  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.481   0.000   0.796  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1        1.844  -1.340   0.879  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.180  -1.664   0.955  0.00  0.00    +0.120 A 
ATOM      6  N   LIG    1        4.152  -0.730   0.949  0.00  0.00    -0.221 NA
ATOM      7  C   LIG    1        3.764   0.571   0.858  0.00  0.00    +0.222 A 
ATOM      8  C   LIG    1        0.646  -2.248   0.896  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        0.500  -2.935   2.259  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        0.693  -3.290  -0.226  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.444   0.989   0.785  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1       -0.501  -1.231   0.665  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.106   2.432   0.639  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -2.157   1.199   0.543  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -2.865   4.088  -2.852  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.164   3.132  -1.699  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -4.608   2.828  -1.700  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -5.136   3.673  -1.485  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -4.927   1.785  -0.708  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -4.058   0.513  -0.890  0.00  0.00    +0.158 C 
ATOM     21  N   LIG    1       -2.583   0.789  -0.819  0.00  0.00    -0.280 NA
ATOM     22  C   LIG    1       -2.288   1.850  -1.819  0.00  0.00    +0.104 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.467  -0.592   0.113  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -4.026  -1.898  -0.128  0.00  0.00    -0.306 N 
ATOM     25  C   LIG    1       -3.532  -2.350  -1.422  0.00  0.00    +0.131 C 
ATOM     26  C   LIG    1       -4.488  -2.942   0.771  0.00  0.00    +0.131 C 
ATOM     27  O   LIG    1       -5.129  -0.314   1.117  0.00  0.00    -0.274 OA
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  28
ATOM     28  O   LIG    1        4.720   1.585   0.835  0.00  0.00    -0.437 OA
BRANCH  28  29
ATOM     29  C   LIG    1        6.031   1.175   0.861  0.00  0.00    +0.149 A 
ATOM     30  C   LIG    1        6.739   0.926  -0.319  0.00  0.00    +0.083 A 
ATOM     31 CL   LIG    1        6.000   1.090  -1.870  0.00  0.00    -0.080 Cl
ATOM     32  C   LIG    1        8.083   0.552  -0.254  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1        8.720   0.442   0.985  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        8.016   0.711   2.160  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1        6.673   1.084   2.100  0.00  0.00    +0.048 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5